benzyl N-[(3R)-3-[(1-cyclopropylpiperidin-4-yl)carbamoyl]oxolan-3-yl]carbamate

C21H29N3O4 — CID 97262042

IUPACbenzyl N-[(3R)-3-[(1-cyclopropylpiperidin-4-yl)carbamoyl]oxolan-3-yl]carbamate
SMILESO=C(N[C@]1(C(=O)NC2CCN(C3CC3)CC2)CCOC1)OCc1ccccc1
InChIInChI=1S/C21H29N3O4/c25-19(22-17-8-11-24(12-9-17)18-6-7-18)21(10-13-27-15-21)23-20(26)28-14-16-4-2-1-3-5-16/h1-5,17-18H,6-15H2,(H,22,25)(H,23,26)/t21-/m1/s1
InChIKeyBSNALCNCCTUMJN-OAQYLSRUSA-N
MW387.48 g/mol
LogP1.81
Rot. Bonds6

About benzyl N-[(3R)-3-[(1-cyclopropylpiperidin-4-yl)carbamoyl]oxolan-3-yl]carbamate

benzyl N-[(3R)-3-[(1-cyclopropylpiperidin-4-yl)carbamoyl]oxolan-3-yl]carbamate (PubChem CID 97262042) has the molecular formula C21H29N3O4 and a molecular weight of 387.48 g/mol. Its IUPAC name is benzyl N-[(3R)-3-[(1-cyclopropylpiperidin-4-yl)carbamoyl]oxolan-3-yl]carbamate.

Molecular Properties

Compound Namebenzyl N-[(3R)-3-[(1-cyclopropylpiperidin-4-yl)carbamoyl]oxolan-3-yl]carbamate
PubChem CID97262042
Molecular FormulaC21H29N3O4
Molecular Weight387.48 g/mol
Exact Mass387.22
IUPAC Namebenzyl N-[(3R)-3-[(1-cyclopropylpiperidin-4-yl)carbamoyl]oxolan-3-yl]carbamate
SMILESO=C(N[C@]1(C(=O)NC2CCN(C3CC3)CC2)CCOC1)OCc1ccccc1
InChIInChI=1S/C21H29N3O4/c25-19(22-17-8-11-24(12-9-17)18-6-7-18)21(10-13-27-15-21)23-20(26)28-14-16-4-2-1-3-5-16/h1-5,17-18H,6-15H2,(H,22,25)(H,23,26)/t21-/m1/s1
InChIKeyBSNALCNCCTUMJN-OAQYLSRUSA-N
XLogP1.81
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.48
LogP ≤ 51.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

benzyl N-[(3S)-1-(oxetan-3-yl)pyrrolidin-3-yl]carbamate
CID 56965558
benzyl N-[4-(2-oxa-6-azaspiro[3.3]heptan-6-yl)cyclohexyl]carbamate
CID 142544483
benzyl N-(1-oxaspiro[2.5]octan-6-yl)carbamate
CID 15932630
methyl 3-(phenylmethoxycarbonylamino)oxetane-3-carboxylate
CID 129285191
cis-(1S,3R)-3-[[3-(9H-fluoren-9-ylmethoxycarbonylamino)oxolane-3-carbonyl]amino]cyclopentane-1-carboxylic acid
CID 178190848
benzyl N-(1-methylpiperidin-4-yl)carbamate;hydrochloride
CID 141061173
methyl 4-[[methyl-[(3S)-3-(phenylmethoxycarbonylamino)oxolane-3-carbonyl]amino]methyl]benzoate
CID 97345895
methyl 4-[[methyl-[3-(phenylmethoxycarbonylamino)oxolane-3-carbonyl]amino]methyl]benzoate
CID 75451248
benzyl N-(1,4-dioxepan-6-yl)carbamate
CID 131219269
2-[4-(phenylmethoxycarbonylamino)piperidin-1-yl]acetic acid
CID 66566868
(2R)-2-amino-N-(1-cyclopropylpiperidin-4-yl)-3-phenylpropanamide
CID 78984552
benzyl N-(4-amino-4-methylcyclohexyl)carbamate
CID 168763188

Frequently Asked Questions

What is the IUPAC name of benzyl N-[(3R)-3-[(1-cyclopropylpiperidin-4-yl)carbamoyl]oxolan-3-yl]carbamate?
The IUPAC name of benzyl N-[(3R)-3-[(1-cyclopropylpiperidin-4-yl)carbamoyl]oxolan-3-yl]carbamate (CID 97262042) is benzyl N-[(3R)-3-[(1-cyclopropylpiperidin-4-yl)carbamoyl]oxolan-3-yl]carbamate.
What is the SMILES notation for benzyl N-[(3R)-3-[(1-cyclopropylpiperidin-4-yl)carbamoyl]oxolan-3-yl]carbamate?
The canonical SMILES for benzyl N-[(3R)-3-[(1-cyclopropylpiperidin-4-yl)carbamoyl]oxolan-3-yl]carbamate is O=C(N[C@]1(C(=O)NC2CCN(C3CC3)CC2)CCOC1)OCc1ccccc1.
What is the InChIKey of benzyl N-[(3R)-3-[(1-cyclopropylpiperidin-4-yl)carbamoyl]oxolan-3-yl]carbamate?
The InChIKey is BSNALCNCCTUMJN-OAQYLSRUSA-N. The full InChI is InChI=1S/C21H29N3O4/c25-19(22-17-8-11-24(12-9-17)18-6-7-18)21(10-13-27-15-21)23-20(26)28-14-16-4-2-1-3-5-16/h1-5,17-18H,6-15H2,(H,22,25)(H,23,26)/t21-/m1/s1.
What are the key properties of benzyl N-[(3R)-3-[(1-cyclopropylpiperidin-4-yl)carbamoyl]oxolan-3-yl]carbamate?
benzyl N-[(3R)-3-[(1-cyclopropylpiperidin-4-yl)carbamoyl]oxolan-3-yl]carbamate has a molecular weight of 387.48 g/mol, XLogP of 1.81, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-[(3R)-3-[(1-cyclopropylpiperidin-4-yl)carbamoyl]oxolan-3-yl]carbamate is sourced from PubChem (CID 97262042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).